Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5415215

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C=CC(=O)N(C)Cc1cc(-c2ccc(OC(F)(F)F)cc2)c2c(c1CO)CCO2

Basic Information

ChEMBL ID CHEMBL5415215
Phase Preclinical
Structure Type MOL
InChI Key JRNWBFIHIFCYKC-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
3.82
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F3NO4
MW 407.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.07

Activity Summary

IC50 4 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcriptional enhancer factor TEF-3
CHEMBL4295828
IC50 8.52 8.52 3.0 1
Transcriptional enhancer factor TEF-1
CHEMBL3334416
IC50 8.4 8.4 4.0 1
Transcriptional enhancer factor TEF-4
CHEMBL4523301
IC50 8.22 8.22 6.0 1
Transcriptional enhancer factor TEF-5
CHEMBL4523435
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37736181 10.1021/acsmedchemlett.3c00346 Transcriptional enhancer factor TEF-1 1
37736181 10.1021/acsmedchemlett.3c00346 Transcriptional enhancer factor TEF-4 1
37736181 10.1021/acsmedchemlett.3c00346 Transcriptional enhancer factor TEF-5 1
37736181 10.1021/acsmedchemlett.3c00346 Transcriptional enhancer factor TEF-3 1

Data from ChEMBL 36 via Core Engine